N-(4-fluorophenyl)-1-(pyridin-4-yl)piperidin-4-amine

• ChemBase ID: 271143
• Molecular Formular: C16H18FN3
• Molecular Mass: 271.3326232
• Monoisotopic Mass: 271.14847581
• SMILES: N1(c2ccncc2)CCC(Nc2ccc(F)cc2)CC1
• Canonical SMILES: Fc1ccc(cc1)NC1CCN(CC1)c1ccncc1
• InChI: InChI=1S/C16H18FN3/c17-13-1-3-14(4-2-13)19-15-7-11-20(12-8-15)16-5-9-18-10-6-16/h1-6,9-10,15,19H,7-8,11-12H2
• InChIKey: PBAAYQSQMNQBJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluorophenyl)-1-(pyridin-4-yl)piperidin-4-amine
• IUPAC Traditional name: N-(4-fluorophenyl)-1-(pyridin-4-yl)piperidin-4-amine
• Synonyms: N-(4-fluorophenyl)-1-(pyridin-4-yl)piperidin-4-amine

Database IDs

• MDL Number: MFCD12654588
• PubChem SID: 164327053
• PubChem CID: 43166972

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1733989
• LogD (pH = 7.4): 1.4463726
• Log P: 2.2889798
• Molar Refractivity: 80.2609 cm^3
• Polarizability: 29.427902 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 151 - 153°C
• Hydrophobicity(logP): 2.795

Product Information

• Purity: 95%